Eosin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Eosin
Accession Number
DB13706
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Acid red 87
  • Eosine Yellowish
Categories
UNII
TDQ283MPCW
CAS number
17372-87-1
Weight
Average: 691.859
Monoisotopic: 687.674414
Chemical Formula
C20H6Br4Na2O5
InChI Key
SEACYXSIPDVVMV-UHFFFAOYSA-L
InChI
InChI=1S/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2
IUPAC Name
disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
SMILES
[Na+].[Na+].[O-]C(=O)C1=C(C=CC=C1)C1=C2C=C(Br)C(=O)C(Br)=C2OC2=C1C=C(Br)C([O-])=C2Br

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
10580
ChEBI
52053
ChEMBL
CHEMBL411675
Wikipedia
Eosin
ATC Codes
D08AX02 — Eosin

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00126 mg/mLALOGPS
logP6.12ALOGPS
logP5.99ChemAxon
logS-5.7ALOGPS
pKa (Strongest Acidic)3.39ChemAxon
pKa (Strongest Basic)1.98ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area89.49 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity155.26 m3·mol-1ChemAxon
Polarizability46.14 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzopyrans
Sub Class
1-benzopyrans
Direct Parent
Xanthenes
Alternative Parents
Benzoic acids / Benzoyl derivatives / Phenoxides / Aryl bromides / Heteroaromatic compounds / Carboxylic acid salts / Cyclic ketones / Oxacyclic compounds / Carboxylic acids / Organic metal halides
show 6 more
Substituents
Xanthene / Benzoic acid or derivatives / Benzoic acid / Benzoyl / Phenoxide / Aryl bromide / Aryl halide / Monocyclic benzene moiety / Benzenoid / Heteroaromatic compound
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
organobromine compound, organic sodium salt (CHEBI:52053)

Drug created on June 23, 2017 14:47 / Updated on May 01, 2019 13:40